1-oxo-spiro[5.5]undecane-2-carboxylic acid methyl ester | 135616-18-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-oxo-spiro[5.5]undecane-2-carboxylic acid methyl ester
• 英文别名: methyl 5-oxospiro[5.5]undecane-4-carboxylate
• CAS: 135616-18-1
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: KXDOQDJYFFRGRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-oxo-spiro[5.5]undecane-2-carboxylic acid methyl ester 生成 spiro[5.5]undec-1-ene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Regioselective conversion of cycloalkanones to vinyl bromides with 1,2-functionality transposition. A general stratagem

  摘要：

  Cyclic beta-keto esters, available by regioselective acylation of cycloalkanone enolates, are rapidly transformed to alpha,beta-unsaturated acids. This functionality transposition allows the derived 3-hydroxy-4-methylthiazole-2-(3H)-thione derivatives to serve as precursors to synthetically useful vinyl bromides. The process involves heating the hydroxamate ester with AIBN in bromotrichloromethane solution. Alkylative and ring contractive variants of the methodology are highlighted. The short sequence makes available precursors to vinyl anions that are not otherwise conveniently accessible.

  DOI：

  10.1021/jo00021a044
• 作为产物：
  描述：

  2,2-五亚甲基环己酮 、 碳酸二甲酯 在 potassium tert-butylate 、 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 1-oxo-spiro[5.5]undecane-2-carboxylic acid methyl ester
  参考文献：
  名称：

  SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF

  摘要：

  以下是用中文翻译的结果：由下列通用式[Ia]表示的螺环化合物，其药用可接受盐或其溶剂化合物

  公开号：

  US20090170908A1

文献信息

• Spiro compounds and pharmaceutical use thereof
  申请人：Japan Tobacco Inc.

  公开号：US08299296B2

  公开（公告）日：2012-10-30

  The spiro compound represented by the following general formula [Ia], its pharmaceutically acceptable salt or a solvate thereof

  以下是通用式[Ia]所代表的螺环化合物，其药学上可接受的盐或其溶剂化物。
• SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Japan Tobacco Inc.

  公开号：EP2202216A1

  公开（公告）日：2010-06-30

  The spiro compound represented by the following general formula [Ia], its pharmaceutically acceptable salt or a solvate thereof

  以下通式[Ia]代表的螺环化合物、其药学上可接受的盐或其溶液
• Rigidified 2-aminopyrimidines as histamine H4 receptor antagonists: Effects of substitution about the rigidifying ring
  作者：John R. Koenig、Huaqing Liu、Irene Drizin、David G. Witte、Tracy L. Carr、Arlene M. Manelli、Ivan Milicic、Marina I. Strakhova、Thomas R. Miller、Timothy A. Esbenshade、Jorge D. Brioni、Marlon Cowart

  DOI：10.1016/j.bmcl.2010.01.131

  日期：2010.3

  Three novel series of histamine H-4 receptor (H4R) antagonists containing the 2-aminopyrimidine motif are reported. The best of these compounds display good in vitro potency in both functional and binding assays. In addition, representative compounds are able to completely block itch responses when dosed ip in a mouse model of H-4-agonist induced scratching, thus demonstrating their activities as H4R antagonists. (C) 2010 Elsevier Ltd. All rights reserved.
• US8299296B2
  申请人：——

  公开号：US8299296B2

  公开（公告）日：2012-10-30
• SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF
  申请人：Shimada Takashi

  公开号：US20090170908A1

  公开（公告）日：2009-07-02

  The Spiro compound represented by the following general formula [Ia], its pharmaceutically acceptable salt or a solvate thereof

  以下是用中文翻译的结果：由下列通用式[Ia]表示的螺环化合物，其药用可接受盐或其溶剂化合物